UCSF

ZINC44679426

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 13 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) -0.18 2.44 -87.07 5 3 2 44 185.315 4
Hi High (pH 8-9.5) -0.18 2.12 -30.38 4 3 1 42 184.307 4
Hi High (pH 8-9.5) -0.18 0.16 -38.3 4 3 1 43 184.307 4

Activity (Go SEA)

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