UCSF

ZINC09409030

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 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) 4.73 8.17 -14.98 2 7 0 88 435.524 10
Mid Mid (pH 6-8) 4.73 8.93 -55.26 1 7 -1 91 434.516 10

Activity (Go SEA)

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