UCSF

ZINC70614288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 2.59 7.81 -109.22 3 2 2 21 214.397 5
Mid Mid (pH 6-8) 2.59 6.14 -33.73 2 2 1 20 213.389 5
Mid Mid (pH 6-8) 2.59 6.45 -28.83 2 2 1 16 213.389 5

Activity (Go SEA)

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