UCSF

ZINC13454387

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 26 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) 3.52 2.27 -14.08 3 7 0 104 372.402 4
Mid Mid (pH 6-8) 3.03 2.14 -42.59 2 7 -1 103 371.394 5
Lo Low (pH 4.5-6) 3.03 2.64 -20.36 3 7 0 101 372.402 5

Activity (Go SEA)

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