UCSF

ZINC40870243

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 26 No

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) 3.91 10.48 -18.51 1 7 0 97 369.402 6
Hi High (pH 8-9.5) 4.09 7.93 -49.21 0 7 -1 103 368.394 6

Activity (Go SEA)

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