UCSF

ZINC31978094

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 0.90 4.52 -87.29 4 4 2 45 265.401 6
Mid Mid (pH 6-8) 0.90 2.05 -48.98 3 4 1 43 264.393 6
Mid Mid (pH 6-8) 0.90 4.45 -87.25 4 4 2 45 265.401 6

Activity (Go SEA)

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