UCSF

ZINC37154306

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) 4.50 11.54 -123.87 3 2 2 21 308.897 5
Hi High (pH 8-9.5) 4.50 10.54 -32.96 2 2 1 16 307.889 5
Mid Mid (pH 6-8) 4.50 9.69 -39.21 2 2 1 20 307.889 5

Activity (Go SEA)

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