UCSF

ZINC34686154

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 1.55 7.01 -22.38 0 9 0 81 467.522 6
Mid Mid (pH 6-8) 1.55 9.26 -67.21 1 9 1 82 468.53 6

Activity (Go SEA)

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