UCSF

ZINC32500775

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 19 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) 2.49 6.88 -33.87 1 3 1 17 267.437 5
Hi High (pH 8-9.5) 2.49 4.46 -1.21 0 3 0 16 266.429 5
Lo Low (pH 4.5-6) 2.49 8.98 -102.46 2 3 2 18 268.445 5

Activity (Go SEA)

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