UCSF

ZINC32587110

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 22 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) 1.95 8.61 -76.66 2 4 2 21 311.514 6
Hi High (pH 8-9.5) 1.95 6.28 -32.48 1 4 1 20 310.506 6
Lo Low (pH 4.5-6) 1.95 10.64 -174.22 3 4 3 23 312.522 6

Activity (Go SEA)

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