UCSF

ZINC36781083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) -0.31 1.26 -47.84 2 6 -1 98 215.229 7
Lo Low (pH 4.5-6) -0.31 -0.71 -10.55 3 6 0 95 216.237 7

Activity (Go SEA)

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