UCSF

ZINC36256308

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 1.20 6.94 -49.52 2 7 1 66 383.557 10
Lo Low (pH 4.5-6) 1.20 8.85 -103.39 3 7 2 68 384.565 10

Activity (Go SEA)

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