UCSF

ZINC37154129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 2.80 8.43 -110.34 3 3 2 34 252.402 5
Mid Mid (pH 6-8) 2.80 6.47 -34.11 2 3 1 33 251.394 5
Mid Mid (pH 6-8) 2.80 7.58 -32.31 2 3 1 30 251.394 5

Activity (Go SEA)

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