UCSF

ZINC32740661

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 28 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) 4.76 9.19 -17.96 1 5 0 68 384.464 2
Hi High (pH 8-9.5) 4.83 8.3 -51.61 0 5 -1 74 383.456 2

Activity (Go SEA)

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