UCSF

ZINC34964304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 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) 3.36 2.65 -42.35 0 3 -1 39 303.104 1
Lo Low (pH 4.5-6) 2.63 3.21 -8.35 1 3 0 42 304.112 1

Activity (Go SEA)

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