UCSF

ZINC09469763

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 29 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) 1.97 -5.67 -17.25 1 6 0 79 407.495 5
Lo Low (pH 4.5-6) 1.97 -5.56 -51.25 2 6 1 80 408.503 5

Activity (Go SEA)

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