UCSF

ZINC36743320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 1.37 2.05 -40.11 2 5 -1 98 252.319 5
Mid Mid (pH 6-8) 1.37 1.95 -11.08 3 5 0 96 253.327 5

Activity (Go SEA)

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