UCSF

ZINC34985275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 Yes

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) 3.19 4.09 -4.06 2 2 0 28 241.121 0
Lo Low (pH 4.5-6) 3.19 5.46 -42.79 3 2 1 32 242.129 0

Activity (Go SEA)

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