UCSF

ZINC19392087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 20 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) 1.06 7.81 -49.89 3 3 1 45 266.368 3
Hi High (pH 8-9.5) 1.06 7.57 -7.15 2 3 0 44 265.36 3
Mid Mid (pH 6-8) 1.06 8.21 -105.56 4 3 2 47 267.376 3

Activity (Go SEA)

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