UCSF

ZINC08914005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.61 -3.51 -53.91 4 7 1 94 382.488 3
Mid Mid (pH 6-8) 1.61 -3.3 -114.44 5 7 2 95 383.496 3

Activity (Go SEA)

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