UCSF

ZINC33926995

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 28 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) 2.74 6.14 -7.36 2 5 0 101 383.377 2
Lo Low (pH 4.5-6) 2.74 5.97 -43.32 3 5 1 102 384.385 2

Activity (Go SEA)

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