UCSF

ZINC36366968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 3.78 8.14 -10.63 1 5 0 60 387.361 4
Ref Reference (pH 7) 3.60 10.8 -10.79 1 5 0 56 387.361 4
Lo Low (pH 4.5-6) 3.60 11.26 -39.7 2 5 1 57 388.369 4

Activity (Go SEA)

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