UCSF

ZINC13568323

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 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) 6.53 15.17 -15.11 1 4 0 47 501.961 8
Mid Mid (pH 6-8) 6.53 15.6 -45.52 2 4 1 48 502.969 8

Activity (Go SEA)

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