UCSF

ZINC53118300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 1.09 1.11 -37.24 4 5 1 76 304.451 10
Hi High (pH 8-9.5) 1.09 -0.06 -7.22 3 5 0 71 303.443 10

Activity (Go SEA)

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