UCSF

ZINC13575674

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 19 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) 2.17 5.45 -10.3 2 4 0 57 255.252 2
Ref Reference (pH 7) 2.17 5.57 -7.72 2 4 0 57 255.252 2
Hi High (pH 8-9.5) 3.35 4.35 -46.63 1 4 -1 64 254.244 2
Hi High (pH 8-9.5) 3.35 3.43 -39.36 1 4 -1 64 254.244 2

Activity (Go SEA)

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