UCSF

ZINC29060503

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 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) 5.13 10.12 -18.33 1 7 0 104 382.426 3
Hi High (pH 8-9.5) 5.59 8.93 -56.04 0 7 -1 107 381.418 3

Activity (Go SEA)

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