UCSF

ZINC37025146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.39 4.57 -44.92 3 5 1 62 237.327 6
Hi High (pH 8-9.5) 1.39 3.13 -9.37 2 5 0 57 236.319 6
Mid Mid (pH 6-8) 1.39 4.95 -86.42 4 5 2 63 238.335 6

Activity (Go SEA)

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