UCSF

ZINC00292064

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2005 21 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) 3.17 9.11 -36.89 1 3 1 23 284.379 4
Mid Mid (pH 6-8) 3.17 6.81 -6.23 0 3 0 22 283.371 4

Activity (Go SEA)

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