UCSF

ZINC59801821

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 22 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) -0.73 6.17 -111.23 4 6 0 102 305.309 4
Hi High (pH 8-9.5) -0.73 5.82 -68.9 3 6 -1 100 304.301 4
Mid Mid (pH 6-8) -0.73 4.16 -66.11 5 6 1 99 306.317 4

Activity (Go SEA)

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