UCSF

ZINC37039588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -2.05 0.54 -96.18 4 5 2 56 216.329 4
Mid Mid (pH 6-8) -2.05 -1.66 -48.99 3 5 1 54 215.321 4
Lo Low (pH 4.5-6) -2.05 0.63 -118.53 4 5 2 56 216.329 4

Activity (Go SEA)

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