UCSF

ZINC43897101

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 2.63 9.05 -91 3 3 2 24 289.467 4
Hi High (pH 8-9.5) 2.63 6.84 -34.74 2 3 1 23 288.459 4
Mid Mid (pH 6-8) 2.63 7.96 -113.03 3 3 2 24 289.467 4
Mid Mid (pH 6-8) 2.63 7.08 -30.42 2 3 1 20 288.459 4

Activity (Go SEA)

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