UCSF

ZINC37835879

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.60 7.61 -67.52 1 5 0 65 244.335 8
Lo Low (pH 4.5-6) 0.60 5.64 -39.86 2 5 1 62 245.343 8

Activity (Go SEA)

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