UCSF

ZINC09331780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 23 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) 4.29 9.76 -15.64 1 4 0 51 389.274 5
Hi High (pH 8-9.5) 4.47 8.68 -45.08 0 4 -1 58 388.266 5

Activity (Go SEA)

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