UCSF

ZINC32579381

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 31 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) 4.67 11.12 -18.84 1 7 0 82 455.54 8
Hi High (pH 8-9.5) 4.86 10.05 -46.73 0 7 -1 88 454.532 8

Activity (Go SEA)

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