UCSF

ZINC62029973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 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) 0.12 -0.77 -42.47 3 4 1 43 242.387 6
Mid Mid (pH 6-8) 0.12 2.34 -34.96 3 4 1 43 242.387 6
Mid Mid (pH 6-8) 0.12 1.66 -108.26 4 4 2 45 243.395 6

Activity (Go SEA)

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