UCSF

ZINC36875441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 32 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) 3.58 11.76 -51.72 3 5 1 63 428.556 8
Hi High (pH 8-9.5) 3.76 9.41 -39.26 2 5 0 69 427.548 8

Activity (Go SEA)

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