UCSF

ZINC63065926

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2011 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) 2.06 4.71 -42.73 3 2 1 31 237.342 3
Mid Mid (pH 6-8) 2.06 6.29 -117.72 4 2 2 32 238.35 3

Activity (Go SEA)

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