UCSF

ZINC37830605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.47 9.9 -60.94 0 4 -1 60 266.361 7
Lo Low (pH 4.5-6) 2.47 8.08 -8.83 1 4 0 58 267.369 7

Activity (Go SEA)

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