UCSF

ZINC45658367

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.25 2.34 -110.72 4 4 2 45 243.395 3
Hi High (pH 8-9.5) 0.25 -0.07 -45.8 3 4 1 43 242.387 3
Hi High (pH 8-9.5) 0.25 1.53 -34.04 3 4 1 43 242.387 3

Activity (Go SEA)

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