UCSF

ZINC36992332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 5.04 7.73 -40.24 3 2 1 37 375.739 5
Hi High (pH 8-9.5) 5.04 7.1 -3.97 2 2 0 32 374.731 5
Hi High (pH 8-9.5) 5.04 8.49 -34.06 2 2 0 40 374.731 5

Activity (Go SEA)

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