UCSF

ZINC34577158

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 0.74 9.4 -56.48 2 5 -1 88 361.299 2
Lo Low (pH 4.5-6) 0.74 7.39 -10.86 3 5 0 85 362.307 2

Activity (Go SEA)

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