UCSF

ZINC32587033

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 26 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) 4.17 11.37 -106.4 2 4 2 21 361.574 7
Hi High (pH 8-9.5) 4.17 9.08 -36.31 1 4 1 20 360.566 7
Mid Mid (pH 6-8) 4.17 9.24 -41.97 1 4 1 20 360.566 7

Activity (Go SEA)

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