UCSF

ZINC37228702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 2.63 7.35 -113.52 3 3 2 24 267.461 6
Hi High (pH 8-9.5) 2.63 5.98 -32.59 2 3 1 20 266.453 6
Mid Mid (pH 6-8) 2.63 4.91 -37.56 2 3 1 23 266.453 6
Lo Low (pH 4.5-6) 2.63 9.61 -197.78 4 3 3 25 268.469 6

Activity (Go SEA)

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