UCSF

ZINC37308743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.45 4.57 -60.56 4 4 1 74 255.297 3
Hi High (pH 8-9.5) 0.90 1.61 -48.53 2 4 -1 75 253.281 3
Mid Mid (pH 6-8) 0.90 1.95 -79.9 3 4 0 77 254.289 3

Activity (Go SEA)

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