UCSF

ZINC36672375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.06 10 -49.85 1 5 0 63 293.363 7
Hi High (pH 8-9.5) 3.06 7.8 -54.69 0 5 -1 62 292.355 7

Activity (Go SEA)

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