UCSF

ZINC02025182

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 23 No

Other Names:

MFCD01066743

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) 3.04 4.15 -11 3 6 0 91 311.341 5
Hi High (pH 8-9.5) 3.04 4.93 -52.78 2 6 -1 94 310.333 5
Lo Low (pH 4.5-6) 3.05 4.51 -36.03 4 6 1 92 312.349 5

Activity (Go SEA)

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