UCSF

ZINC01354257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 14 No

Other Names:

MFCD05712182

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) 0.04 4.79 -18.7 1 3 0 50 191.161 1
Hi High (pH 8-9.5) 0.95 3 -54.15 0 3 -1 53 190.153 1

Activity (Go SEA)

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