UCSF

ZINC37835961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.18 8.69 -63.05 0 6 -1 87 294.327 7
Lo Low (pH 4.5-6) 1.18 7.45 -12.95 1 6 0 84 295.335 7

Activity (Go SEA)

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