UCSF

ZINC32908003

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 19 No

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) 1.19 2.07 -15.11 2 6 0 79 267.329 4
Hi High (pH 8-9.5) 1.38 0.27 -44.74 1 6 -1 85 266.321 4

Activity (Go SEA)

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