UCSF

ZINC36357381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 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) 3.11 7.92 -9.71 1 4 0 50 343.308 2
Ref Reference (pH 7) 2.93 10.59 -10.23 1 4 0 47 343.308 2
Lo Low (pH 4.5-6) 2.93 11.05 -50.21 2 4 1 48 344.316 2

Activity (Go SEA)

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