UCSF

ZINC35738344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 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) 0.62 2.68 -109.72 5 4 2 65 227.352 1
Hi High (pH 8-9.5) 0.62 1.91 -7.02 3 4 0 58 225.336 1
Mid Mid (pH 6-8) 0.62 2.82 -46.26 4 4 1 63 226.344 1

Activity (Go SEA)

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