UCSF

ZINC19582070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 23 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) 2.00 6.88 -94.6 3 5 2 48 324.465 7
Mid Mid (pH 6-8) 2.00 4.66 -33.12 2 5 1 46 323.457 7

Activity (Go SEA)

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