UCSF

ZINC36780424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 2.93 2.94 -10.32 3 4 0 61 272.348 5
Hi High (pH 8-9.5) 2.93 3.7 -46.34 2 4 -1 64 271.34 5
Hi High (pH 8-9.5) 2.93 4.81 -40.4 3 4 0 69 272.348 5

Activity (Go SEA)

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