UCSF

ZINC35649657

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 1.18 3.87 -33.82 2 3 1 28 221.324 3
Hi High (pH 8-9.5) 1.18 1.5 -3.53 1 3 0 27 220.316 3
Mid Mid (pH 6-8) 1.18 6.34 -74.28 2 3 1 32 221.324 3
Mid Mid (pH 6-8) 1.18 5.8 -105.4 3 3 2 29 222.332 3

Activity (Go SEA)

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