UCSF

ZINC08993686

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 24 No

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) 2.32 7.83 -22.11 1 6 0 84 390.237 5
Hi High (pH 8-9.5) 2.84 6.95 -38.84 0 6 -1 90 389.229 5

Activity (Go SEA)

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