UCSF

ZINC34685709

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 38 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) 4.42 14.16 -21.07 0 6 0 53 509.65 7
Mid Mid (pH 6-8) 4.42 16.39 -58.39 1 6 1 54 510.658 7

Activity (Go SEA)

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