UCSF

ZINC04904445

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 23 Yes

CAS Number:

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) 5.34 11.1 -7.59 1 2 0 29 311.469 5
Lo Low (pH 4.5-6) 5.19 9.75 -33.74 2 2 1 34 312.477 5

Activity (Go SEA)

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