UCSF

ZINC39952701

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 27 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) 3.83 9.84 -49.28 0 6 -1 73 375.489 7
Mid Mid (pH 6-8) 3.83 11.79 -38.01 1 6 0 74 376.497 7

Activity (Go SEA)

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