UCSF

ZINC37796577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.22 7.95 -70.5 2 5 0 74 262.309 5
Lo Low (pH 4.5-6) 1.22 5.87 -46.8 3 5 1 71 263.317 5

Activity (Go SEA)

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