UCSF

ZINC34562784

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 No

Other Names:

MFCD18430975

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) 0.26 1.51 -8.95 2 5 0 86 197.19 4
Hi High (pH 8-9.5) 0.07 1.69 -40.36 2 5 -1 92 196.182 3

Activity (Go SEA)

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