UCSF

ZINC40175337

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 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) 4.35 10.26 -34.96 1 3 1 21 383.313 3
Hi High (pH 8-9.5) 4.35 9.83 -4.66 0 3 0 19 382.305 3
Mid Mid (pH 6-8) 4.35 12.47 -94.89 2 3 2 22 384.321 3
Mid Mid (pH 6-8) 4.35 12.04 -44.56 1 3 1 21 383.313 3

Activity (Go SEA)

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