UCSF

ZINC32541484

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 2.08 5.32 -12.07 1 5 0 58 311.385 3
Hi High (pH 8-9.5) 2.53 4.42 -49.89 0 5 -1 61 310.377 3
Lo Low (pH 4.5-6) 2.08 7.67 -51.08 2 5 1 59 312.393 3

Activity (Go SEA)

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