UCSF

ZINC36746770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 1.11 3.97 -103.55 5 4 2 64 243.395 7
Hi High (pH 8-9.5) 1.11 2.97 -38.09 4 4 1 60 242.387 7

Activity (Go SEA)

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