UCSF

ZINC12405090

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.71 -7.65 -53.99 3 11 -1 158 328.201 2
Lo Low (pH 4.5-6) -1.71 -7.51 -47.84 4 11 0 159 329.209 2
Lo Low (pH 4.5-6) -1.71 -13.44 -56.1 4 11 0 159 329.209 2

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 18C_DROME; 3CP2_STRSQ; AAPK2_CAEEL; ABCA1_HUMAN; ABCA1_MOUSE; ABCCB_HUMAN; ACSA_ECOLI; ACTHR_BOVIN; ACTHR_CAVPO; ACTHR_HUMAN; ACTHR_MESAU; ACTHR_MOUSE; ACTHR_PAPHA; ACTHR_PIG; ACTHR_SHEEP; ACTNB_DICDI; ADCY3_HUMAN; ADCY3_MOUSE; ADCY3_RAT; ADCY9_CHICK; ADC ChEBI
UniProt Database Links ALPH_ELIME; RNY_STAA8 ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )