UCSF

ZINC06088992

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 40 No

Other Names:

MFCD01180383

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) 3.11 -12.19 -30.25 2 4 0 176 620.76 12
Hi High (pH 8-9.5) 3.11 -11.64 -60.11 3 12 -1 178 619.752 13
Hi High (pH 8-9.5) 3.11 -11.08 -95.09 2 12 -2 180 618.744 13

Activity (Go SEA)

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