UCSF

ZINC54153072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 25 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) 1.73 11.18 -127.28 0 6 -2 102 395.845 6
Lo Low (pH 4.5-6) 1.73 9.18 -57.16 1 6 -1 99 396.853 6

Activity (Go SEA)

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