UCSF

ZINC36358474

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 3.00 7.88 -10.53 1 4 0 50 325.318 2
Ref Reference (pH 7) 2.81 10.55 -11.76 1 4 0 47 325.318 2
Lo Low (pH 4.5-6) 2.81 11 -49.1 2 4 1 48 326.326 2

Activity (Go SEA)

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