UCSF

ZINC35101290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 14 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) -1.01 -1.47 -39.68 3 5 1 66 203.262 4
Hi High (pH 8-9.5) -1.01 -2.73 -10.26 2 5 0 62 202.254 4

Activity (Go SEA)

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