UCSF

ZINC60387951

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2011 28 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) 2.84 7.3 -14.81 0 6 0 51 388.439 7
Mid Mid (pH 6-8) 2.84 9.53 -51.27 1 6 1 52 389.447 7

Activity (Go SEA)

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