UCSF

ZINC38094200

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 14 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) 0.14 2.87 -30.23 2 4 1 40 196.274 4
Hi High (pH 8-9.5) 0.14 2.41 -8.8 1 4 0 39 195.266 4
Mid Mid (pH 6-8) 0.14 3.77 -46.16 2 4 1 44 196.274 4

Activity (Go SEA)

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