UCSF

ZINC36787907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.65 8.1 -38.01 2 4 1 38 267.441 7
Hi High (pH 8-9.5) 2.65 6.74 -4.41 1 4 0 33 266.433 7
Mid Mid (pH 6-8) 2.65 8.24 -92.47 3 4 2 39 268.449 7

Activity (Go SEA)

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