UCSF

ZINC36980263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.06 7.24 -39.81 2 4 1 52 266.361 8
Hi High (pH 8-9.5) 3.06 6.01 -7.52 1 4 0 48 265.353 8

Activity (Go SEA)

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