UCSF

ZINC37835461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.50 3.95 -46.11 0 5 -1 64 223.252 4
Lo Low (pH 4.5-6) -0.50 6.2 -67.75 1 5 0 65 224.26 4
Lo Low (pH 4.5-6) -0.50 1.98 -9.51 1 5 0 61 224.26 4

Activity (Go SEA)

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