UCSF

ZINC44424140

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 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) 0.93 4.27 -42.81 2 5 1 53 256.37 9
Hi High (pH 8-9.5) 0.93 2.84 -8.73 1 5 0 48 255.362 9

Activity (Go SEA)

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