UCSF

ZINC00666567

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 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) 3.84 10.33 -9.52 1 5 0 58 363.461 6
Hi High (pH 8-9.5) 4.29 8.79 -51.27 0 5 -1 61 362.453 6
Lo Low (pH 4.5-6) 3.84 10.79 -38.71 2 5 0 59 364.469 6

Activity (Go SEA)

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