UCSF

ZINC42167394

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 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) 2.00 4.08 -39.51 3 6 1 71 291.375 4
Mid Mid (pH 6-8) 2.00 4.41 -84.28 4 6 2 72 292.383 4

Activity (Go SEA)

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