UCSF

ZINC20637558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 24 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) 3.18 6.67 -9.86 1 5 0 50 326.444 4
Mid Mid (pH 6-8) 3.18 7.04 -28.4 2 5 1 52 327.452 4

Activity (Go SEA)

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