UCSF

ZINC63052021

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 0.10 2.74 -78.99 3 4 2 28 242.411 6
Mid Mid (pH 6-8) 0.10 5.06 -173.94 4 4 3 29 243.419 6
Mid Mid (pH 6-8) 0.10 2.62 -89.41 3 4 2 28 242.411 6

Activity (Go SEA)

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