UCSF

ZINC15018359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 31 No

Other Names:

MFCD01177356

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) 7.31 12.94 -11.13 1 4 0 55 428.557 5
Ref Reference (pH 7) 7.31 11.57 -11.01 1 4 0 55 428.557 5
Lo Low (pH 4.5-6) 7.31 12.02 -27.85 2 4 1 56 429.565 5
Lo Low (pH 4.5-6) 7.31 13.17 -25.94 2 4 1 56 429.565 5

Activity (Go SEA)

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