UCSF

ZINC31960887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.53 0.01 -59.18 5 7 1 94 308.406 8
Mid Mid (pH 6-8) -0.53 2.35 -102.67 6 7 2 95 309.414 8

Activity (Go SEA)

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