UCSF

ZINC45650366

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.97 6.06 -102.1 3 3 2 24 243.439 8
Hi High (pH 8-9.5) 1.97 3.92 -38.39 2 3 1 23 242.431 8
Mid Mid (pH 6-8) 1.97 7.23 -75.4 3 3 2 21 243.439 8

Activity (Go SEA)

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