UCSF

ZINC16291587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 20 No

Other Names:

MFCD03839039

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) 4.23 7.16 -51.12 0 3 -1 52 262.288 1
Ref Reference (pH 7) 4.23 7.6 -52.43 0 3 -1 52 262.288 1
Ref Reference (pH 7) 2.77 7.96 -8.49 0 3 0 47 263.296 1
Mid Mid (pH 6-8) 4.23 6.3 -9.43 1 3 0 50 263.296 1
Mid Mid (pH 6-8) 4.23 6.73 -9.3 1 3 0 50 263.296 1

Activity (Go SEA)

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