UCSF

ZINC08979472

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 30 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) 2.18 -3.09 -13.58 2 7 0 93 422.51 6
Lo Low (pH 4.5-6) 2.18 -2.98 -51.98 3 7 1 94 423.518 6

Activity (Go SEA)

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