UCSF

ZINC36358115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 32 Yes

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) 2.61 3.36 -59.61 1 9 -1 121 427.444 5
Ref Reference (pH 7) 2.43 6.07 -56.86 1 9 -1 118 427.444 5
Lo Low (pH 4.5-6) 2.15 5.24 -17.27 2 9 0 118 428.452 5
Lo Low (pH 4.5-6) 1.97 7.89 -18.21 2 9 0 115 428.452 5

Activity (Go SEA)

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