UCSF

ZINC01070762

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 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) 3.80 10.86 -16.15 1 6 0 72 405.461 5
Lo Low (pH 4.5-6) 3.80 11.14 -42.77 2 6 1 73 406.469 5

Activity (Go SEA)

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