UCSF

ZINC44609955

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) -0.11 1.19 -44.39 2 4 1 42 242.368 4
Hi High (pH 8-9.5) -0.11 -0.18 -7.52 1 4 0 37 241.36 4
Mid Mid (pH 6-8) -0.11 3.59 -100.48 3 4 2 43 243.376 4

Activity (Go SEA)

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