UCSF

ZINC19819493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 34 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) 2.01 13.73 -26.52 1 10 0 104 458.478 7
Mid Mid (pH 6-8) 2.01 14.21 -47.76 2 10 1 105 459.486 7

Activity (Go SEA)

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