UCSF

ZINC20192350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 24 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) 1.82 4.84 -12.83 0 5 0 36 349.5 3
Mid Mid (pH 6-8) 1.82 7.18 -58.34 1 5 1 37 350.508 3
Lo Low (pH 4.5-6) 1.82 7.21 -54.89 1 5 1 37 350.508 3

Activity (Go SEA)

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