UCSF

ZINC45302729

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 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) 5.19 11.26 -70.12 3 4 2 34 378.564 8
Hi High (pH 8-9.5) 5.19 8.99 -23.91 2 4 1 33 377.556 8

Activity (Go SEA)

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