UCSF

ZINC37838423

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.19 3.81 -52.18 0 6 -1 81 307.351 4
Lo Low (pH 4.5-6) 1.19 6.07 -71.42 1 6 0 82 308.359 4

Activity (Go SEA)

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