UCSF

ZINC42453632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.93 5.41 -47.28 3 3 1 44 208.329 5
Hi High (pH 8-9.5) 1.93 5 -4.45 2 3 0 42 207.321 5
Mid Mid (pH 6-8) 1.93 5.9 -99.62 4 3 2 45 209.337 5

Activity (Go SEA)

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