UCSF

ZINC21787399

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.16 11.34 -111.59 3 2 2 21 304.503 9
Mid Mid (pH 6-8) 4.16 10.05 -39.16 2 2 1 16 303.495 9
Mid Mid (pH 6-8) 4.16 9.06 -36.95 2 2 1 20 303.495 9

Activity (Go SEA)

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