UCSF

ZINC04216843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 27 No

CAS Number: 14561-42-3

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) 7.27 14.33 -41.01 0 3 -1 57 367.509 9
Mid Mid (pH 6-8) 6.38 0.92 -9.03 0 3 0 51 368.517 9

Activity (Go SEA)

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