UCSF

ZINC36754347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 0.80 2.48 -47.9 4 4 1 60 266.34 4
Lo Low (pH 4.5-6) 0.80 4.72 -113.52 5 4 2 61 267.348 4

Activity (Go SEA)

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