UCSF

ZINC43364084

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 3.09 6.12 -39.21 3 3 1 44 253.41 8
Mid Mid (pH 6-8) 3.09 7.59 -30.15 3 3 1 44 253.41 8

Activity (Go SEA)

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