UCSF

ZINC00364996

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 2.33 2.1 -9.04 2 4 0 62 243.262 3
Lo Low (pH 4.5-6) 2.33 2.46 -39.69 3 4 1 64 244.27 3
Lo Low (pH 4.5-6) 2.33 1.73 -41.8 3 4 1 64 244.27 3

Activity (Go SEA)

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