UCSF

ZINC35167711

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) 4.04 11.36 -38.11 1 3 1 22 274.432 8
Mid Mid (pH 6-8) 4.04 9.31 -6.67 0 3 0 21 273.424 8

Activity (Go SEA)

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