UCSF

ZINC04480009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 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) -1.13 -4.9 -36.67 1 8 -1 115 260.251 2
Mid Mid (pH 6-8) -1.59 -3.16 -16.95 2 8 0 112 261.259 2
Mid Mid (pH 6-8) -1.13 -5.71 -50.04 1 8 -1 115 260.251 2

Activity (Go SEA)

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