UCSF

ZINC32799605

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.56 2.21 -43.93 4 6 1 80 305.402 5
Hi High (pH 8-9.5) 0.56 -0.17 -15.59 3 6 0 79 304.394 5

Activity (Go SEA)

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