UCSF

ZINC43983459

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 4.34 9.94 -35.5 2 2 1 20 303.392 8
Hi High (pH 8-9.5) 4.34 6.84 -3.28 1 2 0 15 302.384 8
Mid Mid (pH 6-8) 4.34 10.17 -35.66 2 2 1 16 303.392 8
Lo Low (pH 4.5-6) 4.34 9.23 -111.41 3 2 2 21 304.4 8

Activity (Go SEA)

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