UCSF

ZINC05842585

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 21 No

CAS Numbers: 105336-14-9 , 64748-79-4 , 91524-18-4

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) 1.87 1.42 -11 1 7 0 88 349.144 3
Mid Mid (pH 6-8) 2.05 -0.37 -39.74 0 7 -1 94 348.136 3

Activity (Go SEA)

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