UCSF

ZINC36999819

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 4.82 9.47 -3.41 1 2 0 21 348.284 7
Mid Mid (pH 6-8) 4.82 10.52 -36.02 2 2 1 26 349.292 7

Activity (Go SEA)

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