UCSF

ZINC36771383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.67 4.99 -4.72 1 3 0 28 267.376 4
Lo Low (pH 4.5-6) 1.67 8.6 -136.44 3 3 2 34 269.392 4
Lo Low (pH 4.5-6) 1.67 6.8 -44.07 2 3 1 33 268.384 4

Activity (Go SEA)

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