UCSF

ZINC34935947

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 3.42 6.68 -12.17 0 5 0 50 428.476 8
Mid Mid (pH 6-8) 3.42 8.95 -54.84 1 5 1 51 429.484 8

Activity (Go SEA)

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