UCSF

ZINC13549232

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 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) 4.35 5.37 -22.67 1 7 0 98 438.358 8
Mid Mid (pH 6-8) 4.42 4.46 -41.91 0 7 -1 105 437.35 8

Activity (Go SEA)

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