UCSF

ZINC36667440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 12 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) -0.98 -0.12 -17.01 2 4 0 65 185.252 3
Mid Mid (pH 6-8) -0.98 1.23 -51.26 3 4 1 69 186.26 3

Activity (Go SEA)

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