UCSF

ZINC06352296

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 22 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) 4.03 -3.74 -9.13 1 5 0 64 362.234 5
Hi High (pH 8-9.5) 4.03 -3.16 -41.08 0 5 -1 66 361.226 5

Activity (Go SEA)

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