UCSF

ZINC03504530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 19 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) 2.61 4.8 -42.85 2 4 1 51 348.286 5
Hi High (pH 8-9.5) 2.61 2.47 -7.59 1 4 0 49 347.278 5

Activity (Go SEA)

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