UCSF

ZINC34514342

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 No

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) 1.74 6.18 -110.99 1 7 -2 127 426.427 10
Mid Mid (pH 6-8) 1.74 7.15 -230.47 0 7 -3 130 425.419 10

Activity (Go SEA)

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