UCSF

ZINC08894181

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 30 No

Download: MOL2 SDF SMILES Flexibase

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) 4.68 11.71 -54.61 0 5 -1 73 437.928 4
Mid Mid (pH 6-8) 5.12 12.05 -14.87 1 5 0 71 438.936 3

Activity (Go SEA)

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