UCSF

ZINC45693991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 2.20 6.5 -88.38 3 3 2 24 243.439 8
Hi High (pH 8-9.5) 2.20 4.89 -33.85 2 3 1 20 242.431 8
Mid Mid (pH 6-8) 2.20 6.13 -106.07 3 3 2 24 243.439 8

Activity (Go SEA)

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