UCSF

ZINC34940080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 2.19 7.01 -99.2 5 4 2 59 282.819 5
Hi High (pH 8-9.5) -0.98 4.95 -6.19 4 4 0 58 280.803 5
Mid Mid (pH 6-8) 2.19 4.8 -34.9 4 4 1 58 281.811 5

Activity (Go SEA)

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