UCSF

ZINC34956323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.07 7.65 -47.6 0 3 -1 53 252.359 3
Lo Low (pH 4.5-6) 3.07 8.04 -31.26 1 3 0 54 253.367 3

Activity (Go SEA)

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