UCSF

ZINC39916844

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 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) 4.66 11.49 -31.98 1 3 1 22 361.296 4
Mid Mid (pH 6-8) 4.66 9.02 -9.25 0 3 0 21 360.288 4

Activity (Go SEA)

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