UCSF

ZINC20553171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 1.93 6.63 -104.98 4 4 2 50 309.479 7
Hi High (pH 8-9.5) 1.93 3.18 -6.01 2 4 0 44 307.463 7
Mid Mid (pH 6-8) 1.93 5.31 -43.28 3 4 1 46 308.471 7

Activity (Go SEA)

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