UCSF

ZINC40725176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 15 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) 1.20 3.85 -10.8 1 4 0 53 206.245 1
Hi High (pH 8-9.5) 1.20 3 -31.3 1 4 0 58 206.245 1
Mid Mid (pH 6-8) 1.20 4.86 -54.43 0 4 -1 56 205.237 1
Lo Low (pH 4.5-6) 1.20 2.23 -36.32 2 4 1 55 207.253 1

Activity (Go SEA)

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