UCSF

ZINC58119690

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 22 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) 4.17 7.08 -104.91 0 5 -2 88 447.104 4
Mid Mid (pH 6-8) 4.17 6.61 -51.43 1 5 -1 86 448.112 4

Activity (Go SEA)

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