UCSF

ZINC22927215

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 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) 4.75 12.54 -43 1 3 1 31 376.568 8
Mid Mid (pH 6-8) 4.75 12.61 -41.35 1 3 1 31 376.568 8
Mid Mid (pH 6-8) 4.75 10.23 -7.54 0 3 0 30 375.56 8

Activity (Go SEA)

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