UCSF

ZINC34989701

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.20 2.77 -42.82 3 4 1 62 224.28 4
Hi High (pH 8-9.5) 1.20 1.25 -43.94 1 4 -1 64 222.264 4
Mid Mid (pH 6-8) 1.20 0.31 -10.86 2 4 0 61 223.272 4

Activity (Go SEA)

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