UCSF

ZINC00110441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 2.82 10.32 -13.99 1 3 0 28 299.443 8
Lo Low (pH 4.5-6) 2.82 -1.07 -40.45 2 3 1 29 300.451 8

Activity (Go SEA)

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