UCSF

ZINC37200938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.35 10.2 -95.9 3 2 2 21 349.382 9
Hi High (pH 8-9.5) 4.35 9.3 -32.13 2 2 1 16 348.374 9

Activity (Go SEA)

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