UCSF

ZINC34940145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 1.51 4.47 -46.45 3 3 1 46 303.22 4
Hi High (pH 8-9.5) 1.51 4.21 -4.83 2 3 0 44 302.212 4

Activity (Go SEA)

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