UCSF

ZINC37116554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -1.90 -1.55 -46.65 5 7 1 111 239.255 2
Hi High (pH 8-9.5) -1.44 -3.02 -92.72 4 7 0 115 238.247 2
Mid Mid (pH 6-8) -1.44 -3.45 -56.98 4 7 0 115 238.247 2

Activity (Go SEA)

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