UCSF

ZINC44647992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 0.44 1.13 -40.74 3 5 1 58 244.359 7
Hi High (pH 8-9.5) 0.44 -0.22 -7.62 2 5 0 54 243.351 7
Mid Mid (pH 6-8) 0.44 3.52 -100.64 4 5 2 59 245.367 7

Activity (Go SEA)

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