UCSF

ZINC36667768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 13 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) -0.02 3.87 -36.64 2 4 1 43 189.279 8
Hi High (pH 8-9.5) -0.02 1.4 -5.07 1 4 0 42 188.271 8
Mid Mid (pH 6-8) -0.02 2.76 -43.33 2 4 1 46 189.279 8
Mid Mid (pH 6-8) -0.02 5.21 -113.91 3 4 2 47 190.287 8

Activity (Go SEA)

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