UCSF

ZINC20967725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 19 Yes

Other Names:

MFCD11844423

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) 2.96 8.41 -121.85 3 3 2 30 284.831 6
Mid Mid (pH 6-8) 2.96 7.51 -33.43 2 3 1 26 283.823 6

Activity (Go SEA)

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