UCSF

ZINC20596780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 18 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) 0.27 1.61 -52.1 0 7 -1 83 253.282 4
Mid Mid (pH 6-8) 0.27 3.61 -77.7 1 7 0 85 254.29 4

Activity (Go SEA)

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