UCSF

ZINC45663735

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.74 6.26 -98.99 4 3 2 35 305.919 8
Hi High (pH 8-9.5) 2.74 3.75 -44.1 3 3 1 34 304.911 8
Hi High (pH 8-9.5) 2.74 5.95 -35.81 3 3 1 34 304.911 8

Activity (Go SEA)

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