UCSF

ZINC07342017

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2006 24 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) 2.63 7.14 -18.96 2 7 0 96 360.468 6
Hi High (pH 8-9.5) 2.82 5.74 -109.21 0 7 -2 101 358.452 6
Hi High (pH 8-9.5) 2.63 6.95 -54.57 1 7 -1 95 359.46 6
Mid Mid (pH 6-8) 2.82 6.59 -50.34 1 7 -1 103 359.46 6

Activity (Go SEA)

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