UCSF

ZINC02185872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 30 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) 7.63 1.33 -9.6 1 2 0 28 386.498 4
Mid Mid (pH 6-8) 7.63 1.53 -29.38 2 2 1 29 387.506 4

Activity (Go SEA)

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