UCSF

ZINC36950526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) -0.19 3.09 -43.27 3 6 1 69 266.369 6
Hi High (pH 8-9.5) -0.19 1.67 -7.58 2 6 0 65 265.361 6
Mid Mid (pH 6-8) -0.19 5.35 -107.25 4 6 2 70 267.377 6

Activity (Go SEA)

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