UCSF

ZINC70515380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 0.24 3.68 -42.18 3 6 1 71 282.412 8
Hi High (pH 8-9.5) 0.24 2.45 -12.59 2 6 0 66 281.404 8
Mid Mid (pH 6-8) 0.24 5.9 -101.82 4 6 2 72 283.42 8

Activity (Go SEA)

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