UCSF

ZINC32779328

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 21 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 9.41 -40.46 1 4 1 33 283.399 2
Mid Mid (pH 6-8) 3.06 7.14 -5.71 0 4 0 32 282.391 2
Lo Low (pH 4.5-6) 3.06 9.85 -84.76 2 4 2 35 284.407 2

Activity (Go SEA)

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