UCSF

ZINC53136986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.96 6.37 -7.89 1 4 0 51 242.326 4
Mid Mid (pH 6-8) 1.96 6.86 -32.33 2 4 1 52 243.334 4
Lo Low (pH 4.5-6) 1.96 7.32 -80.15 3 4 2 53 244.342 4

Activity (Go SEA)

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