UCSF

ZINC42409511

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 12 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 4.05 -36.39 2 2 1 20 171.308 7
Hi High (pH 8-9.5) 1.40 2.7 -0.75 1 2 0 15 170.3 7
Mid Mid (pH 6-8) 1.40 6.37 -105.21 3 2 2 21 172.316 7
Mid Mid (pH 6-8) 1.40 5.01 -29.14 2 2 1 16 171.308 7

Activity (Go SEA)

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