UCSF

ZINC37039370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.98 3.3 -48.26 3 5 1 60 258.386 6
Mid Mid (pH 6-8) 0.98 5.22 -113.53 4 5 2 62 259.394 6

Activity (Go SEA)

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