UCSF

ZINC20412382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 27 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) 3.60 9 -50.55 2 6 1 73 370.425 6
Hi High (pH 8-9.5) 3.60 6.4 -14.77 1 6 0 72 369.417 6
Mid Mid (pH 6-8) 3.61 9.98 -41.8 1 6 0 76 369.417 6

Activity (Go SEA)

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