UCSF

ZINC44518828

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.70 6.13 -78.95 3 3 2 24 241.423 4
Mid Mid (pH 6-8) 1.70 6.86 -92.07 3 3 2 21 241.423 4
Lo Low (pH 4.5-6) 1.70 8.13 -171.91 4 3 3 25 242.431 4

Activity (Go SEA)

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