UCSF

ZINC37145710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 3.12 9.09 -40.8 1 3 1 31 284.427 2
Mid Mid (pH 6-8) 3.12 8.58 -40.97 1 3 1 31 284.427 2
Mid Mid (pH 6-8) 3.12 6.73 -7.15 0 3 0 30 283.419 2

Activity (Go SEA)

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