UCSF

ZINC37309639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 4.35 10.13 -55.99 0 4 -1 58 273.356 6
Mid Mid (pH 6-8) 4.35 10.56 -50.24 1 4 0 59 274.364 6

Activity (Go SEA)

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