UCSF

ZINC40177453

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 18 No

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) 1.41 1.53 -57.7 3 4 1 63 275.438 2
Mid Mid (pH 6-8) 1.41 2.33 -125.58 4 4 2 67 276.446 2
Mid Mid (pH 6-8) 1.41 1.35 -45.04 3 4 1 63 275.438 2

Activity (Go SEA)

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