UCSF

ZINC31975512

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 3.52 7.95 -60.48 3 3 1 45 307.204 2
Hi High (pH 8-9.5) 3.52 7.61 -10.67 2 3 0 43 306.196 2
Lo Low (pH 4.5-6) 3.52 8.35 -107.11 4 3 2 46 308.212 2

Activity (Go SEA)

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