UCSF

ZINC05634990

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 26 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) 5.02 12.82 -13.72 1 4 0 46 361.832 3
Mid Mid (pH 6-8) 5.02 13.26 -27.43 2 4 1 48 362.84 3

Activity (Go SEA)

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