UCSF

ZINC36996778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 3.19 7.98 -33.23 2 2 1 16 265.808 3
Mid Mid (pH 6-8) 3.19 6.87 -43.26 2 2 1 20 265.808 3
Lo Low (pH 4.5-6) 3.19 9.13 -114.71 3 2 2 21 266.816 3

Activity (Go SEA)

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