UCSF

ZINC34691537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 31 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) 1.26 3.07 -12.68 1 7 0 65 437.556 9
Mid Mid (pH 6-8) 1.26 5.52 -48.28 2 7 1 67 438.564 9
Mid Mid (pH 6-8) 1.26 5.38 -62.11 2 7 1 67 438.564 9

Activity (Go SEA)

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