UCSF

ZINC19473429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -1.27 -0.25 -67.5 3 7 -1 119 268.245 5
Hi High (pH 8-9.5) -1.27 0.69 -134.21 2 7 -2 122 267.237 5

Activity (Go SEA)

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