UCSF

ZINC36877305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 2.57 6.93 -43.14 3 3 1 45 230.335 5
Hi High (pH 8-9.5) 2.57 5.5 -8.88 2 3 0 41 229.327 5
Hi High (pH 8-9.5) 2.57 5.47 -6.49 2 3 0 41 229.327 5

Activity (Go SEA)

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