UCSF

ZINC34677653

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 28 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) 2.89 6.52 -45.93 2 7 1 74 395.568 12
Mid Mid (pH 6-8) 2.89 4.25 -8.1 1 7 0 73 394.56 12
Lo Low (pH 4.5-6) 2.89 6.5 -44.47 2 7 1 74 395.568 12

Activity (Go SEA)

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