UCSF

ZINC37039619

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -1.16 0.75 -94.86 5 5 2 64 242.367 5
Mid Mid (pH 6-8) -1.16 -1.5 -46.19 4 5 1 63 241.359 5
Lo Low (pH 4.5-6) -1.16 0.77 -116.73 5 5 2 64 242.367 5

Activity (Go SEA)

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