UCSF

ZINC34876551

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 4.43 10.31 -13.24 1 6 0 64 519.642 13
Lo Low (pH 4.5-6) 4.43 12.11 -60.42 2 6 1 65 520.65 13

Activity (Go SEA)

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