UCSF

ZINC37075975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.84 4.2 -16.89 1 5 0 64 305.403 3
Lo Low (pH 4.5-6) 1.84 4.61 -38.19 2 5 1 65 306.411 3

Activity (Go SEA)

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