UCSF

ZINC34667740

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 36 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) 4.36 11.2 -23.16 1 9 0 93 510.978 8
Mid Mid (pH 6-8) 4.36 11.54 -55.86 2 9 1 94 511.986 8

Activity (Go SEA)

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