UCSF

ZINC36839416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 No

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) 0.32 5.09 -30.6 3 5 0 86 242.319 7
Hi High (pH 8-9.5) 0.32 4.08 -50.64 2 5 -1 81 241.311 7

Activity (Go SEA)

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