UCSF

ZINC37267572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 13 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) 0.13 2.5 -87.07 4 4 2 50 187.287 3
Hi High (pH 8-9.5) 0.13 1.07 -40.22 3 4 1 46 186.279 3

Activity (Go SEA)

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