UCSF

ZINC31960220

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 0.02 1.71 -52 2 7 -1 103 266.277 8
Mid Mid (pH 6-8) 0.02 2.17 -67.3 3 7 0 105 267.285 8
Lo Low (pH 4.5-6) 0.02 1.05 -41.36 4 7 1 102 268.293 8

Activity (Go SEA)

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