UCSF

ZINC16976979

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 23 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) 2.98 7.39 -8.32 1 4 0 49 311.429 4
Mid Mid (pH 6-8) 3.43 7.26 -42.19 1 4 0 53 311.429 4
Mid Mid (pH 6-8) 2.98 9.54 -50.18 2 4 1 50 312.437 4

Activity (Go SEA)

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