UCSF

ZINC37794429

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.06 8.4 -58.15 1 7 -1 100 285.283 4
Lo Low (pH 4.5-6) 1.06 6.4 -15.85 2 7 0 97 286.291 4

Activity (Go SEA)

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