UCSF

ZINC09707387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 17 No

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) -0.97 1.24 -22.97 2 7 0 93 254.271 2
Hi High (pH 8-9.5) -0.52 0.14 -47.69 1 7 -1 96 253.263 2

Activity (Go SEA)

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