UCSF

ZINC45665645

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.74 5.28 -112.84 4 4 2 39 294.487 9
Hi High (pH 8-9.5) 1.74 7.3 -105.04 4 4 2 38 294.487 9
Hi High (pH 8-9.5) 1.74 2.81 -44.55 3 4 1 37 293.479 9

Activity (Go SEA)

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