UCSF

ZINC37453677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 19 No

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) 0.14 2.99 -50.08 2 7 -1 111 268.293 8
Lo Low (pH 4.5-6) 0.14 1.02 -12.83 3 7 0 108 269.301 8

Activity (Go SEA)

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