UCSF

ZINC30976453

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 24 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) 3.62 8.53 -8.48 0 3 0 24 367.251 3
Mid Mid (pH 6-8) 3.62 10.84 -51.57 1 3 1 25 368.259 3

Activity (Go SEA)

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