UCSF

ZINC08440369

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 29 Yes

Other Names:

MFCD02980200

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) 7.04 10.24 -8.15 2 4 0 58 445.733 5
Hi High (pH 8-9.5) 7.04 11.01 -50.76 1 4 -1 61 444.725 5
Hi High (pH 8-9.5) 7.04 11.03 -39.26 1 4 -1 61 444.725 5

Activity (Go SEA)

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