UCSF

ZINC29548641

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 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) 0.60 4.4 -104.55 5 7 0 119 360.389 3
Mid Mid (pH 6-8) -2.99 3.5 -79.06 6 7 1 122 361.397 2

Activity (Go SEA)

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