UCSF

ZINC34976148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 2.08 4.06 -26.55 3 5 1 64 248.306 3
Mid Mid (pH 6-8) 2.08 3.95 -11.57 2 5 0 62 247.298 3

Activity (Go SEA)

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