UCSF

ZINC21784566

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 3.95 7.89 -10.38 2 6 0 84 373.478 7
Mid Mid (pH 6-8) 4.41 5.94 -41.28 1 6 -1 87 372.47 7
Mid Mid (pH 6-8) 3.95 7.35 -16.03 2 6 0 84 373.478 7

Activity (Go SEA)

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