UCSF

ZINC36838501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 0.27 7.86 -54.79 1 6 -1 91 265.289 8
Lo Low (pH 4.5-6) 0.27 8.16 -41.3 2 6 0 93 266.297 8

Activity (Go SEA)

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