UCSF

ZINC15069525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 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) 2.01 7.89 -17.14 1 6 0 72 381.476 8
Lo Low (pH 4.5-6) 2.01 8.35 -48.51 2 6 1 73 382.484 8

Activity (Go SEA)

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