UCSF

ZINC42899546

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.88 6.96 -55.05 3 3 1 45 238.314 3
Hi High (pH 8-9.5) 1.88 6.61 -8.22 2 3 0 44 237.306 3
Lo Low (pH 4.5-6) 1.88 7.45 -107.16 4 3 2 47 239.322 3

Activity (Go SEA)

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