UCSF

ZINC58111770

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 23 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) 0.15 5.92 -19.26 2 5 0 71 311.385 7
Lo Low (pH 4.5-6) 0.15 6.27 -46.77 3 5 1 72 312.393 7

Activity (Go SEA)

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