UCSF

ZINC37806062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -1.03 -2.69 -46.38 7 7 1 134 279.32 6
Hi High (pH 8-9.5) -1.03 -3.04 -16.1 6 7 0 133 278.312 6

Activity (Go SEA)

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