UCSF

ZINC43969013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 4.03 9.5 -105.87 3 2 2 21 256.478 7
Mid Mid (pH 6-8) 4.03 7.78 -34.22 2 2 1 20 255.47 7
Mid Mid (pH 6-8) 4.03 8.46 -30.2 2 2 1 16 255.47 7

Activity (Go SEA)

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