UCSF

ZINC09561590

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 28 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) 5.09 10.26 -12.99 1 4 0 55 452.377 4
Lo Low (pH 4.5-6) 5.09 10.67 -43.87 2 4 1 56 453.385 4

Activity (Go SEA)

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