UCSF

ZINC00052339

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 2.43 5.93 -7.38 2 6 0 83 243.27 3
Lo Low (pH 4.5-6) 2.43 5.79 -29.73 3 6 1 84 244.278 3

Activity (Go SEA)

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