UCSF

ZINC03879098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 20 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) 3.61 -0.04 -11.9 1 3 0 41 270.376 2
Lo Low (pH 4.5-6) 3.61 -0.39 -27.36 2 3 1 43 271.384 2

Activity (Go SEA)

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