UCSF

ZINC00650114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 Yes

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) 4.80 11.79 -17.91 1 7 0 81 469.57 4
Hi High (pH 8-9.5) 4.98 11.54 -56.81 0 7 -1 88 468.562 4

Activity (Go SEA)

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