UCSF

ZINC03178167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 No

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) 2.58 3.8 -11.15 3 5 0 82 308.337 4
Mid Mid (pH 6-8) 2.58 4.6 -48.93 2 5 -1 85 307.329 4

Activity (Go SEA)

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