UCSF

ZINC46009342

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 31 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) 3.41 8.69 -55.77 2 8 -1 120 438.485 5
Mid Mid (pH 6-8) 3.86 6.01 -121.51 1 8 -2 123 437.477 5
Lo Low (pH 4.5-6) 3.41 7.93 -15.65 3 8 0 117 439.493 5

Activity (Go SEA)

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