UCSF

ZINC37430175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 17 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 2.86 -50.13 2 6 -1 98 243.283 8
Lo Low (pH 4.5-6) -0.31 0.89 -13.56 3 6 0 95 244.291 8

Activity (Go SEA)

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