UCSF

ZINC01148734

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 31 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) 5.96 -6.64 -12.81 2 6 0 92 499.441 6
Hi High (pH 8-9.5) 5.96 -6.06 -42.16 1 6 -1 94 498.433 6

Activity (Go SEA)

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