UCSF

ZINC44423355

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 17 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) 1.91 6.75 -4.39 1 2 0 25 224.307 4
Lo Low (pH 4.5-6) 1.91 8.07 -42.86 2 2 1 29 225.315 4
Lo Low (pH 4.5-6) 1.91 7.21 -31.8 2 2 1 26 225.315 4

Activity (Go SEA)

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