UCSF

ZINC08862140

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 32 No

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) 3.25 1.04 -44.21 2 7 1 84 435.5 8
Mid Mid (pH 6-8) 2.67 0.89 -50.35 1 7 1 81 435.5 8

Activity (Go SEA)

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