UCSF

ZINC34481074

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 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) 4.42 7.52 -2.4 1 1 0 12 203.329 1
Mid Mid (pH 6-8) 4.42 8.09 -31.54 2 1 1 17 204.337 1

Activity (Go SEA)

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