UCSF

ZINC00186860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 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) 1.33 7.51 -47.82 3 4 1 48 205.285 3
Hi High (pH 8-9.5) 1.33 5.04 -8.02 2 4 0 47 204.277 3
Mid Mid (pH 6-8) 1.33 7.98 -91.19 4 4 2 50 206.293 3

Activity (Go SEA)

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