UCSF

ZINC31959491

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 0.62 1.04 -54.5 4 4 1 70 200.287 3
Hi High (pH 8-9.5) 1.18 -0.03 -11.44 3 4 0 71 199.279 2
Mid Mid (pH 6-8) 0.44 -0.05 -43.98 3 4 0 76 199.279 3

Activity (Go SEA)

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