UCSF

ZINC37024629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -2.60 -4.25 -61.49 6 7 1 118 198.206 4
Mid Mid (pH 6-8) -2.60 -4.64 -24.11 5 7 0 116 197.198 4

Activity (Go SEA)

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