UCSF

ZINC37789077

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) 1.31 4.67 -57.55 2 6 -1 93 291.327 7
Lo Low (pH 4.5-6) 1.31 3.09 -17.38 3 6 0 90 292.335 7

Activity (Go SEA)

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