UCSF

ZINC02794058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 32 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) 2.29 6.99 -16.81 3 9 0 129 463.466 8
Lo Low (pH 4.5-6) 2.29 7.23 -44.85 4 9 1 130 464.474 8

Activity (Go SEA)

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