UCSF

ZINC37228734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.61 6.15 -46.21 2 3 1 29 316.252 4
Hi High (pH 8-9.5) 2.61 4.91 -3.23 1 3 0 24 315.244 4
Mid Mid (pH 6-8) 2.61 7.29 -39.34 2 3 1 26 316.252 4
Lo Low (pH 4.5-6) 2.61 8.51 -129.92 3 3 2 30 317.26 4

Activity (Go SEA)

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