UCSF

ZINC01050273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 3.40 -3.36 -49.7 1 6 -1 95 389.236 6
Hi High (pH 8-9.5) 3.40 -2.78 -97.28 0 6 -2 97 388.228 6

Activity (Go SEA)

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