UCSF

ZINC03873395

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 33 Yes

CAS Number: 83529-08-2

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) 5.10 -1.64 -13.21 1 7 0 74 508.427 9
Mid Mid (pH 6-8) 1.56 -1.36 -42.43 2 7 1 76 509.435 9

Activity (Go SEA)

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