UCSF

ZINC52503995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 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) 2.82 6.1 -40.2 2 2 1 20 241.321 9
Hi High (pH 8-9.5) 2.82 5.42 -1.16 1 2 0 15 240.313 9
Mid Mid (pH 6-8) 2.82 7.7 -111.8 3 2 2 21 242.329 9

Activity (Go SEA)

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