UCSF

ZINC31302544

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 19 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) 4.15 6.57 -33.19 2 3 1 43 277.775 1
Mid Mid (pH 6-8) 4.15 5.87 -6.93 1 3 0 41 276.767 1

Activity (Go SEA)

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