UCSF

ZINC42463443

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.94 1.81 -47.8 3 3 1 40 241.277 5
Hi High (pH 8-9.5) 0.94 1.45 -2.48 2 3 0 38 240.269 5
Lo Low (pH 4.5-6) 0.94 3.72 -127.95 4 3 2 41 242.285 5

Activity (Go SEA)

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