UCSF

ZINC34684605

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.24 11.72 -10.5 0 5 0 30 489.063 6
Mid Mid (pH 6-8) 4.24 13.92 -49.21 1 5 1 31 490.071 6
Lo Low (pH 4.5-6) 4.24 16.12 -99.82 2 5 2 32 491.079 6

Activity (Go SEA)

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