UCSF

ZINC20698907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 32 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) 3.22 12.99 -45.55 2 4 1 37 424.568 2
Mid Mid (pH 6-8) 3.22 10.61 -8.22 1 4 0 36 423.56 2

Activity (Go SEA)

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