UCSF

ZINC38450523

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 22 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) 1.75 3.96 -14.62 2 6 0 78 302.378 7
Mid Mid (pH 6-8) 2.21 3.32 -39.11 2 6 0 82 302.378 7
Mid Mid (pH 6-8) 1.75 6.01 -47.92 3 6 1 79 303.386 7

Activity (Go SEA)

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