UCSF

ZINC11820970

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 29 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) 3.01 10.27 -15.58 1 5 0 62 402.523 3
Lo Low (pH 4.5-6) 3.01 -1.66 -43.25 2 5 1 63 403.531 3

Activity (Go SEA)

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