UCSF

ZINC34963653

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.71 4.64 -48.65 3 2 1 31 287.88 5
Hi High (pH 8-9.5) 3.71 4.14 -1.48 2 2 0 29 286.872 5
Lo Low (pH 4.5-6) 3.71 7.64 -126.91 4 2 2 32 288.888 5

Activity (Go SEA)

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