UCSF

ZINC04004310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 21 Yes

CAS Number: 1005036-73-6

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) 3.18 0.34 -7.4 1 2 0 24 284.309 1
Lo Low (pH 4.5-6) 3.18 0.46 -34.1 2 2 1 26 285.317 1

Activity (Go SEA)

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