UCSF

ZINC00093761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 18 No

Other Names:

MFCD03195693

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) 2.68 7.88 -49.82 1 3 1 17 265.402 4
Mid Mid (pH 6-8) 2.68 5.66 -10.66 0 3 0 16 264.394 4

Activity (Go SEA)

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