UCSF

ZINC28825512

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 14 Yes

Other Names:

MFCD16747177

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) 1.13 4.64 -46.36 2 4 0 66 192.218 3
Mid Mid (pH 6-8) 1.13 4.19 -50.07 1 4 -1 65 191.21 3

Activity (Go SEA)

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