UCSF

ZINC02580118

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 20 Yes

Other Names:

MFCD02261137

Download: MOL2 SDF SMILES Flexibase

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) 3.20 9.06 -53.06 0 3 -1 57 291.22 7
Lo Low (pH 4.5-6) 3.20 7.09 -16.64 1 3 0 54 292.228 7

Activity (Go SEA)

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