UCSF

ZINC11914060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 32 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) 4.22 6.47 -11.28 3 7 0 99 435.524 8
Hi High (pH 8-9.5) 4.22 7.29 -52.11 2 7 -1 102 434.516 8

Activity (Go SEA)

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