UCSF

ZINC37188671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.34 5.29 -47.98 2 5 1 49 300.467 8
Hi High (pH 8-9.5) 2.34 4.13 -5.37 1 5 0 45 299.459 8
Mid Mid (pH 6-8) 2.34 7.51 -123.17 3 5 2 51 301.475 8
Mid Mid (pH 6-8) 2.34 6.36 -36.5 2 5 1 46 300.467 8

Activity (Go SEA)

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