UCSF

ZINC37076454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.24 3.13 -35.77 4 5 1 83 308.379 7
Mid Mid (pH 6-8) 2.24 2.12 -8.65 3 5 0 79 307.371 7

Activity (Go SEA)

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