UCSF

ZINC20472514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 15 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) 0.72 0.15 -55.91 3 4 0 76 252.698 4
Lo Low (pH 4.5-6) 0.72 0.08 -56.86 4 4 1 74 253.706 4

Activity (Go SEA)

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