UCSF

ZINC27698747

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 28 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) 5.12 12.06 -23.56 1 5 0 60 461.381 8
Hi High (pH 8-9.5) 5.30 11 -51.64 0 5 -1 67 460.373 8

Activity (Go SEA)

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