UCSF

ZINC58841126

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 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) 2.29 9.58 -48.15 0 4 -1 60 262.329 8
Lo Low (pH 4.5-6) 2.29 7.6 -8.39 1 4 0 58 263.337 8

Activity (Go SEA)

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