UCSF

ZINC35060600

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 1.05 3.12 -15.59 3 5 0 71 244.298 3
Mid Mid (pH 6-8) 1.05 3.47 -30.06 4 5 1 72 245.306 3

Activity (Go SEA)

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