UCSF

ZINC01114312

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 27 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) 4.38 14.36 -11.17 1 8 0 76 370.457 6
Lo Low (pH 4.5-6) 4.38 14.79 -23.44 2 8 1 77 371.465 6

Activity (Go SEA)

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