UCSF

ZINC43906641

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 4.17 9.34 -106.06 3 2 2 21 242.451 10
Hi High (pH 8-9.5) 4.17 7.53 -35.53 2 2 1 20 241.443 10
Mid Mid (pH 6-8) 4.17 8.47 -30.2 2 2 1 16 241.443 10

Activity (Go SEA)

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