UCSF

ZINC42460083

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) 0.41 1.74 -36.22 2 3 1 29 175.296 8
Hi High (pH 8-9.5) 0.41 2.81 -31.84 2 3 1 26 175.296 8

Activity (Go SEA)

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