UCSF

ZINC37013498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.16 3.9 -51.57 4 5 1 75 231.279 3
Hi High (pH 8-9.5) -0.16 3.63 -11.53 3 5 0 73 230.271 3
Mid Mid (pH 6-8) -0.16 4.48 -88.23 5 5 2 76 232.287 3

Activity (Go SEA)

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