UCSF

ZINC37291383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 0.71 2.28 -7.71 1 6 0 62 267.329 3
Lo Low (pH 4.5-6) 0.71 4.64 -33.47 2 6 1 63 268.337 3

Activity (Go SEA)

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