UCSF

ZINC32957359

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 4.91 10.21 -21.02 2 5 0 71 407.326 6
Hi High (pH 8-9.5) 4.91 10.07 -43.25 1 5 -1 69 406.318 6

Activity (Go SEA)

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