UCSF

ZINC40915926

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 1.97 12.06 -57.29 0 4 -1 62 360.361 4
Lo Low (pH 4.5-6) 1.97 11.25 -23.4 1 4 0 65 361.369 4

Activity (Go SEA)

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