UCSF

ZINC36985290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 No

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) 3.34 9.33 -42.72 1 3 1 25 312.231 4
Mid Mid (pH 6-8) 3.34 7.12 -3.44 0 3 0 24 311.223 4

Activity (Go SEA)

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