UCSF

ZINC37440908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 19 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) 4.65 6.58 -8.83 1 3 0 38 293.153 1
Hi High (pH 8-9.5) 4.65 7.36 -41 0 3 -1 41 292.145 1
Mid Mid (pH 6-8) 4.65 6.99 -30.55 2 3 1 39 294.161 1

Activity (Go SEA)

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