UCSF

ZINC42492565

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.15 2.4 -44.57 3 4 1 49 253.366 8
Mid Mid (pH 6-8) 1.15 4 -127.04 4 4 2 51 254.374 8

Activity (Go SEA)

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