UCSF

ZINC20303677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 0.22 2.65 -41.49 3 5 1 59 240.327 7
Mid Mid (pH 6-8) 0.22 1.36 -39.81 3 5 1 62 240.327 7
Lo Low (pH 4.5-6) 0.22 3.76 -111.27 4 5 2 63 241.335 7

Activity (Go SEA)

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