UCSF

ZINC40379322

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 23 Yes

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) 1.58 8.13 -78.15 1 5 -1 82 308.313 4
Mid Mid (pH 6-8) 1.58 7.31 -32.97 2 5 0 86 309.321 4

Activity (Go SEA)

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