UCSF

ZINC35259017

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 19 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) 1.15 6.22 -41.99 2 4 1 37 268.425 4
Mid Mid (pH 6-8) 1.15 7.19 -124.18 3 4 2 41 269.433 4
Mid Mid (pH 6-8) 1.15 5.33 -46.66 2 4 1 40 268.425 4

Activity (Go SEA)

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