UCSF

ZINC43284801

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 13 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) 1.77 2.1 -40.25 3 2 1 31 264.212 3
Hi High (pH 8-9.5) 1.77 1.82 -2.03 2 2 0 29 263.204 3
Lo Low (pH 4.5-6) 1.77 4.95 -114.57 4 2 2 32 265.22 3

Activity (Go SEA)

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