UCSF

ZINC44659468

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 No

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) 1.53 6.37 -44.4 0 5 -1 53 263.346 6
Mid Mid (pH 6-8) 0.80 6.26 -11.4 1 5 0 56 264.354 6

Activity (Go SEA)

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