UCSF

ZINC00297161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 4.68 10.03 -7.03 0 2 0 22 253.345 4
Lo Low (pH 4.5-6) 4.68 8.99 -26.52 1 2 1 23 254.353 4
Lo Low (pH 4.5-6) 4.68 10.27 -25.26 1 2 1 23 254.353 4

Activity (Go SEA)

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