UCSF

ZINC35286123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 20 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) 3.91 10.4 -109.35 3 2 2 21 310.894 6
Hi High (pH 8-9.5) 3.91 7.42 -2 1 2 0 15 308.878 6
Mid Mid (pH 6-8) 3.91 9.4 -36.53 2 2 1 16 309.886 6

Activity (Go SEA)

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