UCSF

ZINC37233161

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) 4.14 8.85 -34.04 2 2 1 20 275.46 7
Mid Mid (pH 6-8) 4.14 11.29 -31.8 2 2 1 16 275.46 7
Lo Low (pH 4.5-6) 4.14 11.42 -107.83 3 2 2 21 276.468 7

Activity (Go SEA)

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