UCSF

ZINC34553524

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 5.81 15.15 -57.28 2 5 1 54 509.457 7
Mid Mid (pH 6-8) 5.81 12.94 -19.91 1 5 0 53 508.449 7

Activity (Go SEA)

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