UCSF

ZINC32606265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 23 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) 0.73 6.13 -56.01 2 5 0 71 312.3 3
Hi High (pH 8-9.5) 2.03 5.71 -58.35 1 5 -1 74 311.292 3

Activity (Go SEA)

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