UCSF

ZINC34527665

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 1.18 9.19 -60.65 2 8 -1 112 419.408 4
Mid Mid (pH 6-8) 1.18 7.19 -14.56 3 8 0 109 420.416 4

Activity (Go SEA)

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