UCSF

ZINC34538363

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 4.21 6.88 -7.2 1 3 0 47 222.284 5
Hi High (pH 8-9.5) 4.21 7.88 -51.07 0 3 -1 49 221.276 5

Activity (Go SEA)

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