UCSF

ZINC12032387

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 24 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) 2.99 2.26 -43.05 2 6 -1 94 341.368 4
Hi High (pH 8-9.5) 3.94 1.29 -42.75 2 6 -1 98 341.368 3

Activity (Go SEA)

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