UCSF

ZINC60247473

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 11 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) 1.40 3.17 -32.68 2 2 1 20 157.281 0
Hi High (pH 8-9.5) 1.40 2.23 -0.64 1 2 0 15 156.273 0
Mid Mid (pH 6-8) 1.40 3.19 -30.3 2 2 1 16 157.281 0
Lo Low (pH 4.5-6) 1.40 4.44 -100.9 3 2 2 21 158.289 0

Activity (Go SEA)

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