UCSF

ZINC36978341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) -3.38 -4.04 -103.73 3 9 -2 161 266.213 6
Lo Low (pH 4.5-6) -3.83 -2.2 -56.15 4 9 -1 158 267.221 6

Activity (Go SEA)

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