UCSF

ZINC09062529

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 27 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) 4.00 11.13 -48 2 4 1 43 367.513 8
Hi High (pH 8-9.5) 4.00 8.88 -11.11 1 4 0 42 366.505 8

Activity (Go SEA)

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